PCIDB

KNApSAcK Metabolite C00001431

Metabolite

KNApSAcK Entry

id C00001431
Name Spermidine
CAS RN 124-20-9
Standard InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
Standard InChI (Main Layer) InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

Cluster

Phytochemical cluster
KCF-S cluster No. 5867

Link

ChEMBL

By standard InChI CHEMBL19612
By standard InChI Main Layer CHEMBL19612

KEGG

By LinkDB C00315

CTD

By CAS RN D013095

Species

Summary

Plant class

class name count
rosids 18
asterids 3
Liliopsida 1
eudicotyledons 1

Family

family name count
Fabaceae 17
Solanaceae 3
Enterobacteriaceae 1
Poaceae 1
Brassicaceae 1
Montiaceae 1

List (24)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Arachis hypogaea 3818 Fabaceae rosids Viridiplantae
Avena sativa 4498 Poaceae Liliopsida Viridiplantae
Canavalia bonariensis 192414 Fabaceae rosids Viridiplantae
Canavalia ensiformis 3823 Fabaceae rosids Viridiplantae
Escherichia coli 562 Enterobacteriaceae Bacteria
Glycine max 3847 Fabaceae rosids Viridiplantae
Lathyrus sativus 3860 Fabaceae rosids Viridiplantae
Lyallia kerguelensis 442941 Montiaceae eudicotyledons Viridiplantae
Lycopersicon esculentum 4081 Solanaceae asterids Viridiplantae
Nicotiana tabacum 4097 Solanaceae asterids Viridiplantae
Phaseolus coccineus 3886 Fabaceae rosids Viridiplantae
Phaseolus lunatus 3884 Fabaceae rosids Viridiplantae
Phaseolus vulgaris 3885 Fabaceae rosids Viridiplantae
Psophocarpus tetragonolobus 3891 Fabaceae rosids Viridiplantae
Solanum lycopersicum L. 4081 Solanaceae asterids Viridiplantae
Trifolium subterraneum 3900 Fabaceae rosids Viridiplantae
Vicia faba 3906 Fabaceae rosids Viridiplantae
Vicia sativa 3908 Fabaceae rosids Viridiplantae
Vigna angularis 3914 Fabaceae rosids Viridiplantae
Vigna mungo 3915 Fabaceae rosids Viridiplantae
Vigna radiata 157791 Fabaceae rosids Viridiplantae
Vigna unguiculata 3917 Fabaceae rosids Viridiplantae
Wisteria floribunda 3922 Fabaceae rosids Viridiplantae

Human Protein / Gene in interaction

26 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL19612 CHEMBL1741321 (2)
1 / 0
P42345 Serine/threonine-protein kinase mTOR Enzyme CHEMBL19612 CHEMBL1614316 (1) CHEMBL1614009 (1)
0 / 0
Q9Y2D0 Carbonic anhydrase 5B, mitochondrial Lyase CHEMBL19612 CHEMBL1217099 (1)
0 / 0
P35218 Carbonic anhydrase 5A, mitochondrial Lyase CHEMBL19612 CHEMBL1217098 (1)
0 / 0
P43166 Carbonic anhydrase 7 Lyase CHEMBL19612 CHEMBL1217101 (1)
0 / 0
P16473 Thyrotropin receptor Glycohormone receptor CHEMBL19612 CHEMBL1614361 (1)
3 / 2
P00918 Carbonic anhydrase 2 Lyase CHEMBL19612 CHEMBL1217095 (1)
1 / 2
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL19612 CHEMBL1614027 (1) CHEMBL1741325 (2)
0 / 1
P23280 Carbonic anhydrase 6 Lyase CHEMBL19612 CHEMBL1217100 (1)
0 / 0
O15296 Arachidonate 15-lipoxygenase B Enzyme CHEMBL19612 CHEMBL1613800 (2)
0 / 0
Q9ULX7 Carbonic anhydrase 14 Lyase CHEMBL19612 CHEMBL1217105 (1)
0 / 0
O43570 Carbonic anhydrase 12 Lyase CHEMBL19612 CHEMBL1217103 (1)
1 / 2
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL19612 CHEMBL1738606 (1)
0 / 0
P00915 Carbonic anhydrase 1 Lyase CHEMBL19612 CHEMBL1217094 (1)
0 / 0
Q6QHF9 Peroxisomal N(1)-acetyl-spermine/spermidine oxidase Enzyme CHEMBL19612 CHEMBL2185555 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL19612 CHEMBL1741322 (2)
0 / 0
Q16790 Carbonic anhydrase 9 Lyase CHEMBL19612 CHEMBL1217102 (1)
0 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL19612 CHEMBL1738675 (1)
0 / 0
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL19612 CHEMBL1614240 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL19612 CHEMBL1741323 (2)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL19612 CHEMBL1741324 (2)
0 / 1
P07451 Carbonic anhydrase 3 Lyase CHEMBL19612 CHEMBL1217096 (1)
0 / 0
P22748 Carbonic anhydrase 4 Lyase CHEMBL19612 CHEMBL1217097 (1)
1 / 1
P40225 Thrombopoietin Unclassified protein CHEMBL19612 CHEMBL1614086 (1) CHEMBL1614034 (1)
1 / 1
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme CHEMBL19612 CHEMBL1738442 (1)
0 / 0
Q9H015 Solute carrier family 22 member 4 Unclassified protein CHEMBL19612 CHEMBL2076151 (1)
1 / 1

CTD interaction (6)

compound gene gene name gene description interaction interaction type form reference
pmid
D013095 153 ADRB1
ADRB1R
B1AR
BETA1AR
RHR
adrenoceptor beta 1 Spermidine binds to ADRB1 protein affects binding
protein 20885010
D013095 154 ADRB2
ADRB2R
ADRBR
B2AR
BAR
BETA2AR
adrenoceptor beta 2, surface Spermidine binds to ADRB2 protein affects binding
protein 20885010
D013095 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) Acetylcysteine inhibits the reaction [[Naphthalimides co-treated with Spermidine] results in increased activity of CASP3 protein] affects cotreatment
/ decreases reaction
/ increases activity
protein 21349322
D013095 836 CASP3
CPP32
CPP32B
SCA-1
caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) [Naphthalimides co-treated with Spermidine] results in increased activity of CASP3 protein affects cotreatment
/ increases activity
protein 21349322
D013095 486 FXYD2
ATP1G1
HOMG2
FXYD domain containing ion transport regulator 2 FXYD2 protein results in increased transport of Spermidine increases transport
protein 11533133
D013095 331 XIAP
API3
BIRC4
IAP-3
ILP1
MIHA
XLP2
hIAP-3
hIAP3
X-linked inhibitor of apoptosis [Naphthalimides co-treated with Spermidine] results in decreased expression of XIAP protein affects cotreatment
/ decreases expression
protein 21349322

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (10)

OMIM preferred title UniProt
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#143860 Hyperchlorhidrosis, isolated O43570
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#259730 Osteopetrosis, autosomal recessive 3; optb3 P00918
#600852 Retinitis pigmentosa 17; rp17 P22748
#180300 Rheumatoid arthritis; ra Q9H015
#187950 Thrombocythemia 1; thcyt1 P40225

KEGG DISEASE (12)

KEGG disease name UniProt
H01302 Hyperchlorhidrosis isolated (HCHLH) O43570 (related)
H00021 Renal cell carcinoma O43570 (marker)
Q16790 (marker)
H00241 Combined proximal and distal renal tubular acidosis (RTA type 3) P00918 (related)
H00436 Osteopetrosis P00918 (related)
H00036 Osteosarcoma P08684 (marker)
H01205 Coumarin resistance P11712 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H00527 Retinitis pigmentosa (RP) P22748 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00227 Congenital amegakaryocytic thrombocytopenia (CAMT) P40225 (marker)
H00286 Crohn's disease Q9H015 (related)

Diseases related to CTD interactions

5 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D006332 D013095 Cardiomegaly marker/mechanism
6217347
D056486 D013095 Drug-Induced Liver Injury marker/mechanism
20832458
D006948 D013095 Hyperkinesis therapeutic
2819921
D011041 D013095 Poisoning marker/mechanism
22891888
D012640 D013095 Seizures marker/mechanism
therapeutic
1228250
9439844